USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 451 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 120 MET CE :methyl -149:sc= -1.08 (180deg=-3.66!) USER MOD Set 1.2: A 157 MET CE :methyl -173:sc= -4.18! (180deg=-3.99!) USER MOD Single : A 98 SER OG : rot 80:sc= 0.173 USER MOD Single : A 103 MET CE :methyl -148:sc= -0.0947 (180deg=-1.85!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -4.05! C(o=-4.1!,f=-5.6!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -146:sc= -3.42! (180deg=-4.89!) USER MOD Single : A 122 GLN : amide:sc= -0.795 X(o=-0.79,f=-0.49) USER MOD Single : A 129 THR OG1 : rot -39:sc= 0.67 USER MOD Single : A 137 MET CE :methyl 163:sc= -6.79! (180deg=-7.05!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 142:sc= -0.0842 (180deg=-0.766) USER MOD Single : A 143 ASN : amide:sc= -3.87! C(o=-3.9!,f=-13!) USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 TYR OH : rot -38:sc= -1.66! USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 96 64.679 -11.348 -3.099 1.00 1.38 N ATOM 156 CA GLU A 96 63.264 -10.952 -3.351 1.00 1.34 C ATOM 157 C GLU A 96 63.050 -9.483 -2.970 1.00 1.16 C ATOM 158 O GLU A 96 62.335 -8.759 -3.633 1.00 1.07 O ATOM 159 CB GLU A 96 62.431 -11.866 -2.452 1.00 1.51 C ATOM 160 CG GLU A 96 61.852 -13.011 -3.285 1.00 2.07 C ATOM 161 CD GLU A 96 60.420 -13.301 -2.829 1.00 2.19 C ATOM 162 OE1 GLU A 96 59.879 -12.494 -2.093 1.00 2.60 O ATOM 163 OE2 GLU A 96 59.891 -14.326 -3.224 1.00 2.61 O ATOM 0 HA GLU A 96 62.988 -11.051 -4.401 1.00 1.34 H new ATOM 0 HB2 GLU A 96 63.049 -12.264 -1.647 1.00 1.51 H new ATOM 0 HB3 GLU A 96 61.626 -11.299 -1.985 1.00 1.51 H new ATOM 0 HG2 GLU A 96 61.862 -12.747 -4.342 1.00 2.07 H new ATOM 0 HG3 GLU A 96 62.468 -13.903 -3.174 1.00 2.07 H new ATOM 170 N LEU A 97 63.666 -9.041 -1.908 1.00 1.14 N ATOM 171 CA LEU A 97 63.497 -7.621 -1.486 1.00 0.99 C ATOM 172 C LEU A 97 63.879 -6.678 -2.632 1.00 0.82 C ATOM 173 O LEU A 97 63.137 -5.786 -2.989 1.00 0.70 O ATOM 174 CB LEU A 97 64.454 -7.442 -0.305 1.00 1.03 C ATOM 175 CG LEU A 97 63.678 -7.567 1.006 1.00 1.31 C ATOM 176 CD1 LEU A 97 64.415 -8.523 1.946 1.00 1.57 C ATOM 177 CD2 LEU A 97 63.567 -6.191 1.666 1.00 1.71 C ATOM 0 H LEU A 97 64.278 -9.601 -1.315 1.00 1.14 H new ATOM 0 HA LEU A 97 62.466 -7.391 -1.216 1.00 0.99 H new ATOM 0 HB2 LEU A 97 65.243 -8.193 -0.346 1.00 1.03 H new ATOM 0 HB3 LEU A 97 64.939 -6.467 -0.361 1.00 1.03 H new ATOM 0 HG LEU A 97 62.680 -7.955 0.801 1.00 1.31 H new ATOM 0 HD11 LEU A 97 63.862 -8.612 2.881 1.00 1.57 H new ATOM 0 HD12 LEU A 97 64.496 -9.504 1.477 1.00 1.57 H new ATOM 0 HD13 LEU A 97 65.413 -8.135 2.150 1.00 1.57 H new ATOM 0 HD21 LEU A 97 63.014 -6.279 2.601 1.00 1.71 H new ATOM 0 HD22 LEU A 97 64.565 -5.804 1.870 1.00 1.71 H new ATOM 0 HD23 LEU A 97 63.043 -5.508 0.997 1.00 1.71 H new ATOM 189 N SER A 98 65.034 -6.870 -3.208 1.00 0.87 N ATOM 190 CA SER A 98 65.466 -5.987 -4.329 1.00 0.78 C ATOM 191 C SER A 98 64.324 -5.798 -5.331 1.00 0.75 C ATOM 192 O SER A 98 64.056 -4.702 -5.780 1.00 0.74 O ATOM 193 CB SER A 98 66.636 -6.720 -4.981 1.00 0.93 C ATOM 194 OG SER A 98 67.192 -5.901 -6.003 1.00 1.41 O ATOM 0 H SER A 98 65.698 -7.601 -2.951 1.00 0.87 H new ATOM 0 HA SER A 98 65.748 -4.993 -3.984 1.00 0.78 H new ATOM 0 HB2 SER A 98 67.394 -6.955 -4.234 1.00 0.93 H new ATOM 0 HB3 SER A 98 66.298 -7.667 -5.401 1.00 0.93 H new ATOM 0 HG SER A 98 67.775 -5.224 -5.599 1.00 1.41 H new ATOM 200 N ASP A 99 63.651 -6.857 -5.688 1.00 0.80 N ATOM 201 CA ASP A 99 62.529 -6.733 -6.662 1.00 0.82 C ATOM 202 C ASP A 99 61.587 -5.603 -6.242 1.00 0.77 C ATOM 203 O ASP A 99 61.183 -4.790 -7.047 1.00 0.77 O ATOM 204 CB ASP A 99 61.809 -8.081 -6.612 1.00 0.93 C ATOM 205 CG ASP A 99 61.946 -8.784 -7.965 1.00 1.45 C ATOM 206 OD1 ASP A 99 62.162 -8.096 -8.948 1.00 1.92 O ATOM 207 OD2 ASP A 99 61.833 -9.998 -7.992 1.00 2.18 O ATOM 0 H ASP A 99 63.829 -7.802 -5.348 1.00 0.80 H new ATOM 0 HA ASP A 99 62.879 -6.496 -7.667 1.00 0.82 H new ATOM 0 HB2 ASP A 99 62.233 -8.702 -5.823 1.00 0.93 H new ATOM 0 HB3 ASP A 99 60.756 -7.934 -6.372 1.00 0.93 H new ATOM 212 N LEU A 100 61.237 -5.544 -4.986 1.00 0.77 N ATOM 213 CA LEU A 100 60.322 -4.462 -4.520 1.00 0.77 C ATOM 214 C LEU A 100 60.919 -3.091 -4.851 1.00 0.64 C ATOM 215 O LEU A 100 60.247 -2.218 -5.363 1.00 0.64 O ATOM 216 CB LEU A 100 60.222 -4.651 -3.006 1.00 0.85 C ATOM 217 CG LEU A 100 59.347 -5.869 -2.699 1.00 1.16 C ATOM 218 CD1 LEU A 100 59.084 -5.943 -1.194 1.00 1.54 C ATOM 219 CD2 LEU A 100 58.014 -5.742 -3.442 1.00 1.57 C ATOM 0 H LEU A 100 61.544 -6.196 -4.264 1.00 0.77 H new ATOM 0 HA LEU A 100 59.345 -4.510 -5.001 1.00 0.77 H new ATOM 0 HB2 LEU A 100 61.216 -4.787 -2.580 1.00 0.85 H new ATOM 0 HB3 LEU A 100 59.797 -3.759 -2.545 1.00 0.85 H new ATOM 0 HG LEU A 100 59.860 -6.774 -3.024 1.00 1.16 H new ATOM 0 HD11 LEU A 100 58.461 -6.810 -0.976 1.00 1.54 H new ATOM 0 HD12 LEU A 100 60.032 -6.034 -0.663 1.00 1.54 H new ATOM 0 HD13 LEU A 100 58.572 -5.037 -0.869 1.00 1.54 H new ATOM 0 HD21 LEU A 100 57.391 -6.609 -3.223 1.00 1.57 H new ATOM 0 HD22 LEU A 100 57.502 -4.836 -3.118 1.00 1.57 H new ATOM 0 HD23 LEU A 100 58.199 -5.690 -4.515 1.00 1.57 H new ATOM 231 N PHE A 101 62.175 -2.898 -4.562 1.00 0.60 N ATOM 232 CA PHE A 101 62.819 -1.584 -4.857 1.00 0.53 C ATOM 233 C PHE A 101 62.592 -1.194 -6.321 1.00 0.49 C ATOM 234 O PHE A 101 61.943 -0.210 -6.616 1.00 0.61 O ATOM 235 CB PHE A 101 64.307 -1.808 -4.589 1.00 0.57 C ATOM 236 CG PHE A 101 65.018 -0.476 -4.546 1.00 0.46 C ATOM 237 CD1 PHE A 101 64.945 0.321 -3.397 1.00 1.31 C ATOM 238 CD2 PHE A 101 65.748 -0.039 -5.657 1.00 1.23 C ATOM 239 CE1 PHE A 101 65.605 1.555 -3.360 1.00 1.30 C ATOM 240 CE2 PHE A 101 66.408 1.194 -5.619 1.00 1.23 C ATOM 241 CZ PHE A 101 66.337 1.992 -4.471 1.00 0.40 C ATOM 0 H PHE A 101 62.786 -3.593 -4.134 1.00 0.60 H new ATOM 0 HA PHE A 101 62.408 -0.778 -4.249 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.442 -2.335 -3.644 1.00 0.57 H new ATOM 0 HB3 PHE A 101 64.737 -2.437 -5.369 1.00 0.57 H new ATOM 0 HD1 PHE A 101 64.380 -0.016 -2.540 1.00 1.31 H new ATOM 0 HD2 PHE A 101 65.802 -0.653 -6.544 1.00 1.23 H new ATOM 0 HE1 PHE A 101 65.550 2.170 -2.474 1.00 1.30 H new ATOM 0 HE2 PHE A 101 66.973 1.530 -6.476 1.00 1.23 H new ATOM 0 HZ PHE A 101 66.846 2.944 -4.442 1.00 0.40 H new ATOM 251 N ARG A 102 63.124 -1.954 -7.238 1.00 0.53 N ATOM 252 CA ARG A 102 62.943 -1.623 -8.681 1.00 0.70 C ATOM 253 C ARG A 102 61.484 -1.832 -9.099 1.00 0.80 C ATOM 254 O ARG A 102 61.079 -1.458 -10.181 1.00 1.09 O ATOM 255 CB ARG A 102 63.857 -2.596 -9.429 1.00 0.87 C ATOM 256 CG ARG A 102 64.940 -1.811 -10.173 1.00 1.28 C ATOM 257 CD ARG A 102 65.466 -2.647 -11.342 1.00 1.83 C ATOM 258 NE ARG A 102 66.786 -3.160 -10.883 1.00 2.26 N ATOM 259 CZ ARG A 102 67.593 -3.737 -11.732 1.00 2.89 C ATOM 260 NH1 ARG A 102 67.175 -4.744 -12.448 1.00 3.22 N ATOM 261 NH2 ARG A 102 68.817 -3.305 -11.863 1.00 3.68 N ATOM 0 H ARG A 102 63.677 -2.791 -7.051 1.00 0.53 H new ATOM 0 HA ARG A 102 63.187 -0.583 -8.896 1.00 0.70 H new ATOM 0 HB2 ARG A 102 64.315 -3.293 -8.727 1.00 0.87 H new ATOM 0 HB3 ARG A 102 63.275 -3.190 -10.134 1.00 0.87 H new ATOM 0 HG2 ARG A 102 64.533 -0.869 -10.540 1.00 1.28 H new ATOM 0 HG3 ARG A 102 65.756 -1.563 -9.494 1.00 1.28 H new ATOM 0 HD2 ARG A 102 64.786 -3.465 -11.581 1.00 1.83 H new ATOM 0 HD3 ARG A 102 65.569 -2.044 -12.244 1.00 1.83 H new ATOM 0 HE ARG A 102 67.060 -3.061 -9.906 1.00 2.26 H new ATOM 0 HH11 ARG A 102 66.218 -5.081 -12.345 1.00 3.22 H new ATOM 0 HH12 ARG A 102 67.805 -5.195 -13.111 1.00 3.22 H new ATOM 0 HH21 ARG A 102 69.143 -2.517 -11.303 1.00 3.68 H new ATOM 0 HH22 ARG A 102 69.448 -3.755 -12.526 1.00 3.68 H new ATOM 275 N MET A 103 60.692 -2.431 -8.251 1.00 0.68 N ATOM 276 CA MET A 103 59.262 -2.664 -8.606 1.00 0.81 C ATOM 277 C MET A 103 58.364 -1.614 -7.944 1.00 0.79 C ATOM 278 O MET A 103 57.166 -1.598 -8.143 1.00 0.90 O ATOM 279 CB MET A 103 58.945 -4.060 -8.068 1.00 0.91 C ATOM 280 CG MET A 103 57.492 -4.414 -8.387 1.00 1.35 C ATOM 281 SD MET A 103 57.241 -6.193 -8.158 1.00 1.92 S ATOM 282 CE MET A 103 56.301 -6.093 -6.615 1.00 1.63 C ATOM 0 H MET A 103 60.972 -2.768 -7.330 1.00 0.68 H new ATOM 0 HA MET A 103 59.088 -2.589 -9.679 1.00 0.81 H new ATOM 0 HB2 MET A 103 59.615 -4.794 -8.515 1.00 0.91 H new ATOM 0 HB3 MET A 103 59.110 -4.092 -6.991 1.00 0.91 H new ATOM 0 HG2 MET A 103 56.819 -3.854 -7.738 1.00 1.35 H new ATOM 0 HG3 MET A 103 57.254 -4.131 -9.412 1.00 1.35 H new ATOM 0 HE1 MET A 103 56.511 -6.970 -6.003 1.00 1.63 H new ATOM 0 HE2 MET A 103 56.590 -5.194 -6.071 1.00 1.63 H new ATOM 0 HE3 MET A 103 55.235 -6.054 -6.840 1.00 1.63 H new ATOM 292 N PHE A 104 58.929 -0.737 -7.159 1.00 0.71 N ATOM 293 CA PHE A 104 58.097 0.307 -6.493 1.00 0.75 C ATOM 294 C PHE A 104 58.745 1.686 -6.650 1.00 0.68 C ATOM 295 O PHE A 104 58.306 2.657 -6.066 1.00 0.80 O ATOM 296 CB PHE A 104 58.049 -0.098 -5.019 1.00 0.76 C ATOM 297 CG PHE A 104 56.785 -0.882 -4.754 1.00 1.03 C ATOM 298 CD1 PHE A 104 55.551 -0.222 -4.686 1.00 1.71 C ATOM 299 CD2 PHE A 104 56.848 -2.269 -4.576 1.00 1.67 C ATOM 300 CE1 PHE A 104 54.382 -0.951 -4.440 1.00 2.03 C ATOM 301 CE2 PHE A 104 55.679 -2.997 -4.331 1.00 1.90 C ATOM 302 CZ PHE A 104 54.445 -2.339 -4.263 1.00 1.76 C ATOM 0 H PHE A 104 59.927 -0.698 -6.950 1.00 0.71 H new ATOM 0 HA PHE A 104 57.100 0.375 -6.929 1.00 0.75 H new ATOM 0 HB2 PHE A 104 58.922 -0.700 -4.767 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.079 0.789 -4.386 1.00 0.76 H new ATOM 0 HD1 PHE A 104 55.502 0.848 -4.823 1.00 1.71 H new ATOM 0 HD2 PHE A 104 57.800 -2.777 -4.628 1.00 1.67 H new ATOM 0 HE1 PHE A 104 53.430 -0.443 -4.387 1.00 2.03 H new ATOM 0 HE2 PHE A 104 55.728 -4.067 -4.194 1.00 1.90 H new ATOM 0 HZ PHE A 104 53.542 -2.901 -4.074 1.00 1.76 H new ATOM 312 N ASP A 105 59.783 1.783 -7.437 1.00 0.58 N ATOM 313 CA ASP A 105 60.450 3.104 -7.629 1.00 0.52 C ATOM 314 C ASP A 105 59.640 3.960 -8.603 1.00 0.52 C ATOM 315 O ASP A 105 59.980 4.091 -9.763 1.00 0.60 O ATOM 316 CB ASP A 105 61.826 2.778 -8.212 1.00 0.60 C ATOM 317 CG ASP A 105 62.722 4.017 -8.133 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.299 4.995 -7.537 1.00 0.48 O ATOM 319 OD2 ASP A 105 63.818 3.967 -8.672 1.00 0.54 O ATOM 0 H ASP A 105 60.197 1.007 -7.954 1.00 0.58 H new ATOM 0 HA ASP A 105 60.531 3.667 -6.699 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.279 1.953 -7.662 1.00 0.60 H new ATOM 0 HB3 ASP A 105 61.726 2.454 -9.248 1.00 0.60 H new ATOM 324 N LYS A 106 58.569 4.545 -8.142 1.00 0.51 N ATOM 325 CA LYS A 106 57.734 5.392 -9.039 1.00 0.60 C ATOM 326 C LYS A 106 58.601 6.452 -9.720 1.00 0.59 C ATOM 327 O LYS A 106 58.397 6.788 -10.870 1.00 0.70 O ATOM 328 CB LYS A 106 56.706 6.049 -8.118 1.00 0.63 C ATOM 329 CG LYS A 106 55.886 7.067 -8.913 1.00 1.39 C ATOM 330 CD LYS A 106 54.707 6.360 -9.586 1.00 1.58 C ATOM 331 CE LYS A 106 53.749 5.832 -8.515 1.00 2.00 C ATOM 332 NZ LYS A 106 52.399 5.896 -9.141 1.00 2.79 N ATOM 0 H LYS A 106 58.236 4.473 -7.181 1.00 0.51 H new ATOM 0 HA LYS A 106 57.259 4.813 -9.831 1.00 0.60 H new ATOM 0 HB2 LYS A 106 56.049 5.292 -7.690 1.00 0.63 H new ATOM 0 HB3 LYS A 106 57.209 6.542 -7.286 1.00 0.63 H new ATOM 0 HG2 LYS A 106 55.523 7.853 -8.251 1.00 1.39 H new ATOM 0 HG3 LYS A 106 56.513 7.547 -9.664 1.00 1.39 H new ATOM 0 HD2 LYS A 106 54.185 7.051 -10.248 1.00 1.58 H new ATOM 0 HD3 LYS A 106 55.067 5.538 -10.204 1.00 1.58 H new ATOM 0 HE2 LYS A 106 54.003 4.812 -8.227 1.00 2.00 H new ATOM 0 HE3 LYS A 106 53.794 6.439 -7.611 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 51.687 5.550 -8.467 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 52.182 6.880 -9.399 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 52.384 5.303 -9.995 1.00 2.79 H new ATOM 346 N ASN A 107 59.570 6.981 -9.023 1.00 0.53 N ATOM 347 CA ASN A 107 60.447 8.018 -9.639 1.00 0.59 C ATOM 348 C ASN A 107 61.367 7.376 -10.679 1.00 0.60 C ATOM 349 O ASN A 107 61.758 7.999 -11.646 1.00 0.71 O ATOM 350 CB ASN A 107 61.264 8.588 -8.481 1.00 0.62 C ATOM 351 CG ASN A 107 62.321 9.551 -9.023 1.00 1.10 C ATOM 352 OD1 ASN A 107 63.397 9.663 -8.469 1.00 1.50 O ATOM 353 ND2 ASN A 107 62.059 10.257 -10.088 1.00 1.67 N ATOM 0 H ASN A 107 59.792 6.741 -8.057 1.00 0.53 H new ATOM 0 HA ASN A 107 59.875 8.792 -10.151 1.00 0.59 H new ATOM 0 HB2 ASN A 107 60.609 9.108 -7.782 1.00 0.62 H new ATOM 0 HB3 ASN A 107 61.743 7.780 -7.928 1.00 0.62 H new ATOM 0 HD21 ASN A 107 62.757 10.903 -10.456 1.00 1.67 H new ATOM 0 HD22 ASN A 107 61.156 10.163 -10.553 1.00 1.67 H new ATOM 360 N ALA A 108 61.717 6.133 -10.486 1.00 0.56 N ATOM 361 CA ALA A 108 62.613 5.449 -11.462 1.00 0.62 C ATOM 362 C ALA A 108 63.951 6.187 -11.557 1.00 0.64 C ATOM 363 O ALA A 108 64.280 6.765 -12.573 1.00 0.78 O ATOM 364 CB ALA A 108 61.868 5.514 -12.795 1.00 0.72 C ATOM 0 H ALA A 108 61.421 5.562 -9.695 1.00 0.56 H new ATOM 0 HA ALA A 108 62.837 4.423 -11.170 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.464 5.030 -13.569 1.00 0.72 H new ATOM 0 HB2 ALA A 108 60.910 5.003 -12.702 1.00 0.72 H new ATOM 0 HB3 ALA A 108 61.698 6.556 -13.067 1.00 0.72 H new ATOM 370 N ASP A 109 64.724 6.174 -10.506 1.00 0.57 N ATOM 371 CA ASP A 109 66.039 6.877 -10.540 1.00 0.63 C ATOM 372 C ASP A 109 67.084 6.094 -9.742 1.00 0.63 C ATOM 373 O ASP A 109 68.167 6.577 -9.479 1.00 0.76 O ATOM 374 CB ASP A 109 65.778 8.238 -9.892 1.00 0.62 C ATOM 375 CG ASP A 109 65.401 8.041 -8.422 1.00 0.70 C ATOM 376 OD1 ASP A 109 64.682 7.098 -8.136 1.00 0.75 O ATOM 377 OD2 ASP A 109 65.837 8.837 -7.607 1.00 1.20 O ATOM 0 H ASP A 109 64.503 5.708 -9.626 1.00 0.57 H new ATOM 0 HA ASP A 109 66.426 6.975 -11.554 1.00 0.63 H new ATOM 0 HB2 ASP A 109 66.666 8.866 -9.970 1.00 0.62 H new ATOM 0 HB3 ASP A 109 64.975 8.755 -10.418 1.00 0.62 H new ATOM 382 N GLY A 110 66.770 4.888 -9.352 1.00 0.58 N ATOM 383 CA GLY A 110 67.749 4.083 -8.569 1.00 0.62 C ATOM 384 C GLY A 110 67.487 4.282 -7.075 1.00 0.54 C ATOM 385 O GLY A 110 67.813 3.445 -6.258 1.00 0.57 O ATOM 0 H GLY A 110 65.880 4.427 -9.541 1.00 0.58 H new ATOM 0 HA2 GLY A 110 67.660 3.028 -8.828 1.00 0.62 H new ATOM 0 HA3 GLY A 110 68.766 4.387 -8.815 1.00 0.62 H new ATOM 389 N TYR A 111 66.895 5.388 -6.716 1.00 0.50 N ATOM 390 CA TYR A 111 66.603 5.647 -5.278 1.00 0.48 C ATOM 391 C TYR A 111 65.109 5.930 -5.099 1.00 0.42 C ATOM 392 O TYR A 111 64.377 6.058 -6.058 1.00 0.52 O ATOM 393 CB TYR A 111 67.431 6.881 -4.921 1.00 0.52 C ATOM 394 CG TYR A 111 68.902 6.557 -5.046 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.464 6.320 -6.305 1.00 1.36 C ATOM 396 CD2 TYR A 111 69.702 6.497 -3.899 1.00 1.38 C ATOM 397 CE1 TYR A 111 70.827 6.023 -6.419 1.00 1.40 C ATOM 398 CE2 TYR A 111 71.066 6.201 -4.012 1.00 1.46 C ATOM 399 CZ TYR A 111 71.628 5.964 -5.272 1.00 0.83 C ATOM 400 OH TYR A 111 72.972 5.674 -5.384 1.00 0.97 O ATOM 0 H TYR A 111 66.601 6.124 -7.357 1.00 0.50 H new ATOM 0 HA TYR A 111 66.850 4.798 -4.641 1.00 0.48 H new ATOM 0 HB2 TYR A 111 67.173 7.708 -5.582 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.204 7.202 -3.904 1.00 0.52 H new ATOM 0 HD1 TYR A 111 68.846 6.366 -7.189 1.00 1.36 H new ATOM 0 HD2 TYR A 111 69.267 6.679 -2.927 1.00 1.38 H new ATOM 0 HE1 TYR A 111 71.261 5.839 -7.391 1.00 1.40 H new ATOM 0 HE2 TYR A 111 71.684 6.156 -3.128 1.00 1.46 H new ATOM 0 HH TYR A 111 73.382 5.673 -4.494 1.00 0.97 H new ATOM 410 N ILE A 112 64.649 6.026 -3.881 1.00 0.36 N ATOM 411 CA ILE A 112 63.200 6.298 -3.658 1.00 0.32 C ATOM 412 C ILE A 112 63.006 7.302 -2.525 1.00 0.35 C ATOM 413 O ILE A 112 63.633 7.217 -1.488 1.00 0.43 O ATOM 414 CB ILE A 112 62.599 4.952 -3.293 1.00 0.32 C ATOM 415 CG1 ILE A 112 63.048 3.939 -4.354 1.00 0.40 C ATOM 416 CG2 ILE A 112 61.070 5.081 -3.269 1.00 0.35 C ATOM 417 CD1 ILE A 112 61.950 2.911 -4.620 1.00 0.46 C ATOM 0 H ILE A 112 65.210 5.928 -3.035 1.00 0.36 H new ATOM 0 HA ILE A 112 62.726 6.732 -4.538 1.00 0.32 H new ATOM 0 HB ILE A 112 62.930 4.619 -2.309 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.297 4.460 -5.279 1.00 0.40 H new ATOM 0 HG13 ILE A 112 63.954 3.433 -4.020 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.628 4.120 -3.008 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.779 5.827 -2.529 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.715 5.388 -4.253 1.00 0.35 H new ATOM 0 HD11 ILE A 112 62.290 2.203 -5.376 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.721 2.376 -3.698 1.00 0.46 H new ATOM 0 HD13 ILE A 112 61.054 3.419 -4.976 1.00 0.46 H new ATOM 429 N ASP A 113 62.136 8.247 -2.716 1.00 0.36 N ATOM 430 CA ASP A 113 61.888 9.261 -1.648 1.00 0.44 C ATOM 431 C ASP A 113 60.574 8.949 -0.927 1.00 0.44 C ATOM 432 O ASP A 113 59.864 8.035 -1.288 1.00 0.60 O ATOM 433 CB ASP A 113 61.811 10.611 -2.368 1.00 0.56 C ATOM 434 CG ASP A 113 60.917 10.494 -3.604 1.00 0.94 C ATOM 435 OD1 ASP A 113 59.776 10.094 -3.452 1.00 1.53 O ATOM 436 OD2 ASP A 113 61.390 10.812 -4.683 1.00 1.58 O ATOM 0 H ASP A 113 61.583 8.366 -3.565 1.00 0.36 H new ATOM 0 HA ASP A 113 62.674 9.263 -0.892 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.415 11.370 -1.693 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.810 10.934 -2.661 1.00 0.56 H new ATOM 441 N LEU A 114 60.250 9.692 0.093 1.00 0.47 N ATOM 442 CA LEU A 114 58.984 9.427 0.837 1.00 0.47 C ATOM 443 C LEU A 114 57.780 9.484 -0.109 1.00 0.50 C ATOM 444 O LEU A 114 56.787 8.817 0.096 1.00 0.52 O ATOM 445 CB LEU A 114 58.897 10.540 1.881 1.00 0.57 C ATOM 446 CG LEU A 114 58.431 9.952 3.214 1.00 0.68 C ATOM 447 CD1 LEU A 114 58.657 10.975 4.329 1.00 1.36 C ATOM 448 CD2 LEU A 114 56.941 9.613 3.128 1.00 1.57 C ATOM 0 H LEU A 114 60.806 10.472 0.445 1.00 0.47 H new ATOM 0 HA LEU A 114 58.978 8.436 1.292 1.00 0.47 H new ATOM 0 HB2 LEU A 114 59.870 11.017 2.002 1.00 0.57 H new ATOM 0 HB3 LEU A 114 58.202 11.312 1.549 1.00 0.57 H new ATOM 0 HG LEU A 114 58.998 9.047 3.430 1.00 0.68 H new ATOM 0 HD11 LEU A 114 58.325 10.557 5.279 1.00 1.36 H new ATOM 0 HD12 LEU A 114 59.718 11.218 4.390 1.00 1.36 H new ATOM 0 HD13 LEU A 114 58.089 11.880 4.113 1.00 1.36 H new ATOM 0 HD21 LEU A 114 56.608 9.194 4.077 1.00 1.57 H new ATOM 0 HD22 LEU A 114 56.374 10.518 2.912 1.00 1.57 H new ATOM 0 HD23 LEU A 114 56.779 8.885 2.333 1.00 1.57 H new ATOM 460 N GLU A 115 57.859 10.276 -1.143 1.00 0.56 N ATOM 461 CA GLU A 115 56.716 10.374 -2.096 1.00 0.64 C ATOM 462 C GLU A 115 56.533 9.051 -2.845 1.00 0.56 C ATOM 463 O GLU A 115 55.439 8.693 -3.234 1.00 0.61 O ATOM 464 CB GLU A 115 57.107 11.490 -3.067 1.00 0.77 C ATOM 465 CG GLU A 115 55.910 11.839 -3.953 1.00 1.54 C ATOM 466 CD GLU A 115 55.661 13.347 -3.902 1.00 2.04 C ATOM 467 OE1 GLU A 115 56.549 14.088 -4.292 1.00 2.67 O ATOM 468 OE2 GLU A 115 54.588 13.735 -3.472 1.00 2.45 O ATOM 0 H GLU A 115 58.665 10.859 -1.369 1.00 0.56 H new ATOM 0 HA GLU A 115 55.774 10.583 -1.590 1.00 0.64 H new ATOM 0 HB2 GLU A 115 57.432 12.371 -2.513 1.00 0.77 H new ATOM 0 HB3 GLU A 115 57.948 11.172 -3.683 1.00 0.77 H new ATOM 0 HG2 GLU A 115 56.100 11.525 -4.979 1.00 1.54 H new ATOM 0 HG3 GLU A 115 55.024 11.302 -3.614 1.00 1.54 H new ATOM 475 N GLU A 116 57.596 8.324 -3.051 1.00 0.49 N ATOM 476 CA GLU A 116 57.488 7.026 -3.776 1.00 0.45 C ATOM 477 C GLU A 116 57.133 5.898 -2.802 1.00 0.43 C ATOM 478 O GLU A 116 56.243 5.108 -3.049 1.00 0.51 O ATOM 479 CB GLU A 116 58.873 6.795 -4.377 1.00 0.42 C ATOM 480 CG GLU A 116 59.143 7.841 -5.459 1.00 0.94 C ATOM 481 CD GLU A 116 60.611 7.766 -5.882 1.00 0.85 C ATOM 482 OE1 GLU A 116 61.046 6.689 -6.253 1.00 1.28 O ATOM 483 OE2 GLU A 116 61.276 8.788 -5.828 1.00 1.43 O ATOM 0 H GLU A 116 58.537 8.573 -2.748 1.00 0.49 H new ATOM 0 HA GLU A 116 56.708 7.044 -4.537 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.633 6.858 -3.599 1.00 0.42 H new ATOM 0 HB3 GLU A 116 58.934 5.793 -4.802 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.496 7.667 -6.319 1.00 0.94 H new ATOM 0 HG3 GLU A 116 58.912 8.838 -5.083 1.00 0.94 H new ATOM 490 N LEU A 117 57.823 5.815 -1.697 1.00 0.37 N ATOM 491 CA LEU A 117 57.524 4.737 -0.711 1.00 0.42 C ATOM 492 C LEU A 117 56.084 4.871 -0.214 1.00 0.50 C ATOM 493 O LEU A 117 55.415 3.892 0.052 1.00 0.58 O ATOM 494 CB LEU A 117 58.513 4.959 0.433 1.00 0.43 C ATOM 495 CG LEU A 117 58.955 3.606 0.993 1.00 0.61 C ATOM 496 CD1 LEU A 117 60.457 3.639 1.281 1.00 0.90 C ATOM 497 CD2 LEU A 117 58.195 3.320 2.290 1.00 1.53 C ATOM 0 H LEU A 117 58.580 6.446 -1.434 1.00 0.37 H new ATOM 0 HA LEU A 117 57.622 3.740 -1.141 1.00 0.42 H new ATOM 0 HB2 LEU A 117 59.378 5.518 0.077 1.00 0.43 H new ATOM 0 HB3 LEU A 117 58.049 5.556 1.218 1.00 0.43 H new ATOM 0 HG LEU A 117 58.742 2.824 0.265 1.00 0.61 H new ATOM 0 HD11 LEU A 117 60.772 2.675 1.680 1.00 0.90 H new ATOM 0 HD12 LEU A 117 61.000 3.845 0.359 1.00 0.90 H new ATOM 0 HD13 LEU A 117 60.671 4.421 2.010 1.00 0.90 H new ATOM 0 HD21 LEU A 117 58.509 2.356 2.691 1.00 1.53 H new ATOM 0 HD22 LEU A 117 58.410 4.103 3.018 1.00 1.53 H new ATOM 0 HD23 LEU A 117 57.124 3.297 2.087 1.00 1.53 H new ATOM 509 N LYS A 118 55.601 6.076 -0.092 1.00 0.52 N ATOM 510 CA LYS A 118 54.202 6.273 0.381 1.00 0.63 C ATOM 511 C LYS A 118 53.223 5.683 -0.635 1.00 0.71 C ATOM 512 O LYS A 118 52.137 5.257 -0.295 1.00 0.83 O ATOM 513 CB LYS A 118 54.029 7.788 0.486 1.00 0.68 C ATOM 514 CG LYS A 118 52.562 8.121 0.769 1.00 1.05 C ATOM 515 CD LYS A 118 52.481 9.399 1.606 1.00 1.33 C ATOM 516 CE LYS A 118 53.377 10.474 0.989 1.00 1.49 C ATOM 517 NZ LYS A 118 52.988 11.739 1.673 1.00 1.82 N ATOM 0 H LYS A 118 56.114 6.933 -0.299 1.00 0.52 H new ATOM 0 HA LYS A 118 54.008 5.779 1.333 1.00 0.63 H new ATOM 0 HB2 LYS A 118 54.661 8.182 1.282 1.00 0.68 H new ATOM 0 HB3 LYS A 118 54.348 8.265 -0.440 1.00 0.68 H new ATOM 0 HG2 LYS A 118 52.021 8.252 -0.168 1.00 1.05 H new ATOM 0 HG3 LYS A 118 52.086 7.296 1.299 1.00 1.05 H new ATOM 0 HD2 LYS A 118 51.451 9.752 1.651 1.00 1.33 H new ATOM 0 HD3 LYS A 118 52.793 9.195 2.630 1.00 1.33 H new ATOM 0 HE2 LYS A 118 54.431 10.248 1.147 1.00 1.49 H new ATOM 0 HE3 LYS A 118 53.225 10.545 -0.088 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 53.069 12.533 1.007 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 52.005 11.666 2.006 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 53.617 11.902 2.485 1.00 1.82 H new ATOM 531 N ILE A 119 53.604 5.652 -1.883 1.00 0.72 N ATOM 532 CA ILE A 119 52.703 5.086 -2.928 1.00 0.84 C ATOM 533 C ILE A 119 52.890 3.569 -3.009 1.00 0.86 C ATOM 534 O ILE A 119 52.024 2.850 -3.467 1.00 0.96 O ATOM 535 CB ILE A 119 53.142 5.751 -4.231 1.00 0.93 C ATOM 536 CG1 ILE A 119 52.848 7.251 -4.154 1.00 1.00 C ATOM 537 CG2 ILE A 119 52.372 5.138 -5.403 1.00 1.06 C ATOM 538 CD1 ILE A 119 53.121 7.895 -5.514 1.00 1.08 C ATOM 0 H ILE A 119 54.502 5.995 -2.225 1.00 0.72 H new ATOM 0 HA ILE A 119 51.650 5.269 -2.715 1.00 0.84 H new ATOM 0 HB ILE A 119 54.210 5.594 -4.381 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.810 7.414 -3.864 1.00 1.00 H new ATOM 0 HG13 ILE A 119 53.470 7.715 -3.388 1.00 1.00 H new ATOM 0 HG21 ILE A 119 52.686 5.613 -6.333 1.00 1.06 H new ATOM 0 HG22 ILE A 119 52.578 4.069 -5.454 1.00 1.06 H new ATOM 0 HG23 ILE A 119 51.303 5.295 -5.258 1.00 1.06 H new ATOM 0 HD11 ILE A 119 52.912 8.963 -5.459 1.00 1.08 H new ATOM 0 HD12 ILE A 119 54.166 7.743 -5.785 1.00 1.08 H new ATOM 0 HD13 ILE A 119 52.480 7.438 -6.268 1.00 1.08 H new ATOM 550 N MET A 120 54.015 3.081 -2.566 1.00 0.82 N ATOM 551 CA MET A 120 54.263 1.612 -2.613 1.00 0.92 C ATOM 552 C MET A 120 53.374 0.901 -1.589 1.00 0.92 C ATOM 553 O MET A 120 52.927 -0.207 -1.804 1.00 1.01 O ATOM 554 CB MET A 120 55.743 1.452 -2.254 1.00 0.96 C ATOM 555 CG MET A 120 56.009 0.023 -1.776 1.00 1.50 C ATOM 556 SD MET A 120 57.777 -0.340 -1.909 1.00 2.13 S ATOM 557 CE MET A 120 58.268 0.329 -0.302 1.00 2.73 C ATOM 0 H MET A 120 54.775 3.636 -2.173 1.00 0.82 H new ATOM 0 HA MET A 120 54.034 1.178 -3.586 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.363 1.676 -3.122 1.00 0.96 H new ATOM 0 HB3 MET A 120 56.016 2.163 -1.474 1.00 0.96 H new ATOM 0 HG2 MET A 120 55.680 -0.093 -0.743 1.00 1.50 H new ATOM 0 HG3 MET A 120 55.436 -0.685 -2.375 1.00 1.50 H new ATOM 0 HE1 MET A 120 59.284 0.718 -0.365 1.00 2.73 H new ATOM 0 HE2 MET A 120 57.588 1.133 -0.020 1.00 2.73 H new ATOM 0 HE3 MET A 120 58.228 -0.460 0.448 1.00 2.73 H new ATOM 567 N LEU A 121 53.118 1.531 -0.477 1.00 0.88 N ATOM 568 CA LEU A 121 52.256 0.898 0.565 1.00 0.96 C ATOM 569 C LEU A 121 50.832 0.726 0.032 1.00 0.99 C ATOM 570 O LEU A 121 50.335 -0.373 -0.104 1.00 1.12 O ATOM 571 CB LEU A 121 52.268 1.881 1.731 1.00 0.98 C ATOM 572 CG LEU A 121 53.708 2.110 2.195 1.00 1.19 C ATOM 573 CD1 LEU A 121 53.733 3.205 3.262 1.00 1.51 C ATOM 574 CD2 LEU A 121 54.263 0.812 2.785 1.00 1.81 C ATOM 0 H LEU A 121 53.469 2.460 -0.242 1.00 0.88 H new ATOM 0 HA LEU A 121 52.613 -0.090 0.856 1.00 0.96 H new ATOM 0 HB2 LEU A 121 51.818 2.826 1.427 1.00 0.98 H new ATOM 0 HB3 LEU A 121 51.668 1.492 2.554 1.00 0.98 H new ATOM 0 HG LEU A 121 54.319 2.417 1.346 1.00 1.19 H new ATOM 0 HD11 LEU A 121 54.759 3.368 3.592 1.00 1.51 H new ATOM 0 HD12 LEU A 121 53.335 4.130 2.844 1.00 1.51 H new ATOM 0 HD13 LEU A 121 53.123 2.899 4.112 1.00 1.51 H new ATOM 0 HD21 LEU A 121 55.289 0.972 3.116 1.00 1.81 H new ATOM 0 HD22 LEU A 121 53.651 0.507 3.634 1.00 1.81 H new ATOM 0 HD23 LEU A 121 54.245 0.030 2.026 1.00 1.81 H new ATOM 586 N GLN A 122 50.174 1.809 -0.275 1.00 0.95 N ATOM 587 CA GLN A 122 48.787 1.708 -0.806 1.00 1.05 C ATOM 588 C GLN A 122 48.797 0.919 -2.115 1.00 1.12 C ATOM 589 O GLN A 122 47.847 0.239 -2.452 1.00 1.24 O ATOM 590 CB GLN A 122 48.358 3.152 -1.060 1.00 1.07 C ATOM 591 CG GLN A 122 49.288 3.773 -2.101 1.00 1.49 C ATOM 592 CD GLN A 122 48.750 5.142 -2.521 1.00 1.51 C ATOM 593 OE1 GLN A 122 49.075 5.635 -3.583 1.00 2.24 O ATOM 594 NE2 GLN A 122 47.935 5.782 -1.727 1.00 1.52 N ATOM 0 H GLN A 122 50.536 2.758 -0.181 1.00 0.95 H new ATOM 0 HA GLN A 122 48.111 1.197 -0.121 1.00 1.05 H new ATOM 0 HB2 GLN A 122 47.327 3.182 -1.412 1.00 1.07 H new ATOM 0 HB3 GLN A 122 48.395 3.724 -0.133 1.00 1.07 H new ATOM 0 HG2 GLN A 122 50.292 3.877 -1.690 1.00 1.49 H new ATOM 0 HG3 GLN A 122 49.365 3.119 -2.970 1.00 1.49 H new ATOM 0 HE21 GLN A 122 47.662 5.368 -0.835 1.00 1.52 H new ATOM 0 HE22 GLN A 122 47.571 6.696 -1.998 1.00 1.52 H new ATOM 603 N ALA A 123 49.871 1.002 -2.853 1.00 1.11 N ATOM 604 CA ALA A 123 49.953 0.255 -4.138 1.00 1.26 C ATOM 605 C ALA A 123 50.213 -1.225 -3.861 1.00 1.39 C ATOM 606 O ALA A 123 49.936 -2.079 -4.681 1.00 1.55 O ATOM 607 CB ALA A 123 51.132 0.879 -4.884 1.00 1.31 C ATOM 0 H ALA A 123 50.695 1.556 -2.620 1.00 1.11 H new ATOM 0 HA ALA A 123 49.031 0.316 -4.717 1.00 1.26 H new ATOM 0 HB1 ALA A 123 51.259 0.381 -5.845 1.00 1.31 H new ATOM 0 HB2 ALA A 123 50.939 1.939 -5.047 1.00 1.31 H new ATOM 0 HB3 ALA A 123 52.040 0.762 -4.292 1.00 1.31 H new ATOM 682 N THR A 129 48.132 6.802 6.238 1.00 1.18 N ATOM 683 CA THR A 129 48.174 8.262 5.939 1.00 1.21 C ATOM 684 C THR A 129 49.593 8.803 6.137 1.00 1.10 C ATOM 685 O THR A 129 50.491 8.088 6.532 1.00 1.04 O ATOM 686 CB THR A 129 47.213 8.901 6.942 1.00 1.37 C ATOM 687 OG1 THR A 129 47.388 8.295 8.215 1.00 1.63 O ATOM 688 CG2 THR A 129 45.772 8.701 6.472 1.00 1.63 C ATOM 0 HA THR A 129 47.892 8.479 4.909 1.00 1.21 H new ATOM 0 HB THR A 129 47.422 9.968 7.016 1.00 1.37 H new ATOM 0 HG1 THR A 129 47.536 7.333 8.102 1.00 1.63 H new ATOM 0 HG21 THR A 129 45.089 9.157 7.189 1.00 1.63 H new ATOM 0 HG22 THR A 129 45.639 9.168 5.496 1.00 1.63 H new ATOM 0 HG23 THR A 129 45.559 7.635 6.396 1.00 1.63 H new ATOM 696 N GLU A 130 49.798 10.063 5.865 1.00 1.13 N ATOM 697 CA GLU A 130 51.157 10.650 6.039 1.00 1.09 C ATOM 698 C GLU A 130 51.594 10.542 7.502 1.00 1.03 C ATOM 699 O GLU A 130 52.747 10.737 7.831 1.00 0.98 O ATOM 700 CB GLU A 130 51.010 12.117 5.629 1.00 1.23 C ATOM 701 CG GLU A 130 52.162 12.506 4.700 1.00 1.68 C ATOM 702 CD GLU A 130 51.628 13.370 3.556 1.00 2.20 C ATOM 703 OE1 GLU A 130 50.419 13.434 3.403 1.00 2.66 O ATOM 704 OE2 GLU A 130 52.437 13.953 2.853 1.00 2.77 O ATOM 0 H GLU A 130 49.084 10.710 5.530 1.00 1.13 H new ATOM 0 HA GLU A 130 51.910 10.134 5.443 1.00 1.09 H new ATOM 0 HB2 GLU A 130 50.055 12.271 5.126 1.00 1.23 H new ATOM 0 HB3 GLU A 130 51.011 12.754 6.513 1.00 1.23 H new ATOM 0 HG2 GLU A 130 52.923 13.052 5.257 1.00 1.68 H new ATOM 0 HG3 GLU A 130 52.639 11.611 4.301 1.00 1.68 H new ATOM 711 N ASP A 131 50.682 10.230 8.382 1.00 1.08 N ATOM 712 CA ASP A 131 51.046 10.108 9.823 1.00 1.10 C ATOM 713 C ASP A 131 51.899 8.857 10.047 1.00 0.95 C ATOM 714 O ASP A 131 52.864 8.876 10.786 1.00 0.88 O ATOM 715 CB ASP A 131 49.712 9.986 10.560 1.00 1.27 C ATOM 716 CG ASP A 131 49.960 9.485 11.984 1.00 1.65 C ATOM 717 OD1 ASP A 131 51.097 9.547 12.424 1.00 2.28 O ATOM 718 OD2 ASP A 131 49.010 9.048 12.612 1.00 2.09 O ATOM 0 H ASP A 131 49.701 10.054 8.166 1.00 1.08 H new ATOM 0 HA ASP A 131 51.629 10.959 10.176 1.00 1.10 H new ATOM 0 HB2 ASP A 131 49.209 10.953 10.586 1.00 1.27 H new ATOM 0 HB3 ASP A 131 49.053 9.298 10.030 1.00 1.27 H new ATOM 723 N ASP A 132 51.552 7.769 9.415 1.00 0.96 N ATOM 724 CA ASP A 132 52.344 6.518 9.592 1.00 0.88 C ATOM 725 C ASP A 132 53.430 6.422 8.517 1.00 0.76 C ATOM 726 O ASP A 132 54.398 5.703 8.663 1.00 0.72 O ATOM 727 CB ASP A 132 51.333 5.383 9.437 1.00 0.99 C ATOM 728 CG ASP A 132 50.732 5.044 10.802 1.00 1.31 C ATOM 729 OD1 ASP A 132 51.463 4.550 11.644 1.00 1.70 O ATOM 730 OD2 ASP A 132 49.549 5.285 10.983 1.00 1.95 O ATOM 0 H ASP A 132 50.754 7.692 8.784 1.00 0.96 H new ATOM 0 HA ASP A 132 52.850 6.483 10.557 1.00 0.88 H new ATOM 0 HB2 ASP A 132 50.545 5.676 8.744 1.00 0.99 H new ATOM 0 HB3 ASP A 132 51.819 4.504 9.014 1.00 0.99 H new ATOM 735 N ILE A 133 53.276 7.139 7.438 1.00 0.78 N ATOM 736 CA ILE A 133 54.302 7.084 6.356 1.00 0.73 C ATOM 737 C ILE A 133 55.387 8.137 6.598 1.00 0.66 C ATOM 738 O ILE A 133 56.488 8.034 6.093 1.00 0.63 O ATOM 739 CB ILE A 133 53.536 7.390 5.068 1.00 0.84 C ATOM 740 CG1 ILE A 133 52.469 6.316 4.846 1.00 0.91 C ATOM 741 CG2 ILE A 133 54.504 7.394 3.886 1.00 1.14 C ATOM 742 CD1 ILE A 133 51.758 6.568 3.515 1.00 0.96 C ATOM 0 H ILE A 133 52.487 7.759 7.258 1.00 0.78 H new ATOM 0 HA ILE A 133 54.804 6.117 6.313 1.00 0.73 H new ATOM 0 HB ILE A 133 53.061 8.367 5.151 1.00 0.84 H new ATOM 0 HG12 ILE A 133 52.928 5.328 4.843 1.00 0.91 H new ATOM 0 HG13 ILE A 133 51.748 6.330 5.664 1.00 0.91 H new ATOM 0 HG21 ILE A 133 53.957 7.612 2.969 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.267 8.156 4.043 1.00 1.14 H new ATOM 0 HG23 ILE A 133 54.979 6.417 3.801 1.00 1.14 H new ATOM 0 HD11 ILE A 133 50.998 5.802 3.358 1.00 0.96 H new ATOM 0 HD12 ILE A 133 51.285 7.550 3.535 1.00 0.96 H new ATOM 0 HD13 ILE A 133 52.483 6.531 2.702 1.00 0.96 H new ATOM 754 N GLU A 134 55.088 9.147 7.368 1.00 0.73 N ATOM 755 CA GLU A 134 56.107 10.201 7.642 1.00 0.77 C ATOM 756 C GLU A 134 57.237 9.629 8.502 1.00 0.70 C ATOM 757 O GLU A 134 58.402 9.775 8.190 1.00 0.68 O ATOM 758 CB GLU A 134 55.352 11.294 8.400 1.00 0.96 C ATOM 759 CG GLU A 134 54.753 12.288 7.403 1.00 0.95 C ATOM 760 CD GLU A 134 55.812 13.321 7.012 1.00 1.60 C ATOM 761 OE1 GLU A 134 56.363 13.943 7.906 1.00 2.07 O ATOM 762 OE2 GLU A 134 56.054 13.471 5.827 1.00 2.27 O ATOM 0 H GLU A 134 54.184 9.288 7.819 1.00 0.73 H new ATOM 0 HA GLU A 134 56.565 10.583 6.730 1.00 0.77 H new ATOM 0 HB2 GLU A 134 54.562 10.851 9.007 1.00 0.96 H new ATOM 0 HB3 GLU A 134 56.027 11.810 9.083 1.00 0.96 H new ATOM 0 HG2 GLU A 134 54.399 11.761 6.517 1.00 0.95 H new ATOM 0 HG3 GLU A 134 53.890 12.786 7.844 1.00 0.95 H new ATOM 769 N GLU A 135 56.899 8.977 9.580 1.00 0.74 N ATOM 770 CA GLU A 135 57.954 8.394 10.459 1.00 0.76 C ATOM 771 C GLU A 135 58.496 7.101 9.845 1.00 0.66 C ATOM 772 O GLU A 135 59.620 6.710 10.085 1.00 0.74 O ATOM 773 CB GLU A 135 57.249 8.104 11.784 1.00 0.88 C ATOM 774 CG GLU A 135 56.570 9.377 12.291 1.00 1.20 C ATOM 775 CD GLU A 135 56.100 9.168 13.731 1.00 1.48 C ATOM 776 OE1 GLU A 135 55.217 8.350 13.932 1.00 2.16 O ATOM 777 OE2 GLU A 135 56.631 9.829 14.608 1.00 1.95 O ATOM 0 H GLU A 135 55.940 8.822 9.891 1.00 0.74 H new ATOM 0 HA GLU A 135 58.803 9.065 10.588 1.00 0.76 H new ATOM 0 HB2 GLU A 135 56.510 7.314 11.649 1.00 0.88 H new ATOM 0 HB3 GLU A 135 57.969 7.745 12.520 1.00 0.88 H new ATOM 0 HG2 GLU A 135 57.264 10.216 12.242 1.00 1.20 H new ATOM 0 HG3 GLU A 135 55.722 9.628 11.654 1.00 1.20 H new ATOM 784 N LEU A 136 57.701 6.432 9.052 1.00 0.62 N ATOM 785 CA LEU A 136 58.172 5.164 8.422 1.00 0.66 C ATOM 786 C LEU A 136 59.469 5.410 7.649 1.00 0.61 C ATOM 787 O LEU A 136 60.496 4.831 7.940 1.00 0.70 O ATOM 788 CB LEU A 136 57.048 4.755 7.469 1.00 0.77 C ATOM 789 CG LEU A 136 57.488 3.537 6.657 1.00 0.86 C ATOM 790 CD1 LEU A 136 57.091 2.258 7.396 1.00 1.63 C ATOM 791 CD2 LEU A 136 56.807 3.567 5.286 1.00 1.38 C ATOM 0 H LEU A 136 56.748 6.708 8.814 1.00 0.62 H new ATOM 0 HA LEU A 136 58.383 4.389 9.159 1.00 0.66 H new ATOM 0 HB2 LEU A 136 56.145 4.523 8.033 1.00 0.77 H new ATOM 0 HB3 LEU A 136 56.803 5.581 6.802 1.00 0.77 H new ATOM 0 HG LEU A 136 58.570 3.559 6.527 1.00 0.86 H new ATOM 0 HD11 LEU A 136 57.405 1.390 6.816 1.00 1.63 H new ATOM 0 HD12 LEU A 136 57.575 2.237 8.372 1.00 1.63 H new ATOM 0 HD13 LEU A 136 56.009 2.234 7.527 1.00 1.63 H new ATOM 0 HD21 LEU A 136 57.120 2.699 4.705 1.00 1.38 H new ATOM 0 HD22 LEU A 136 55.725 3.546 5.417 1.00 1.38 H new ATOM 0 HD23 LEU A 136 57.091 4.478 4.759 1.00 1.38 H new ATOM 803 N MET A 137 59.432 6.269 6.665 1.00 0.55 N ATOM 804 CA MET A 137 60.663 6.553 5.877 1.00 0.59 C ATOM 805 C MET A 137 61.775 7.054 6.804 1.00 0.65 C ATOM 806 O MET A 137 62.943 6.988 6.481 1.00 0.81 O ATOM 807 CB MET A 137 60.249 7.643 4.886 1.00 0.60 C ATOM 808 CG MET A 137 61.495 8.334 4.328 1.00 0.96 C ATOM 809 SD MET A 137 62.661 7.086 3.726 1.00 1.23 S ATOM 810 CE MET A 137 61.736 6.608 2.246 1.00 1.35 C ATOM 0 H MET A 137 58.602 6.785 6.374 1.00 0.55 H new ATOM 0 HA MET A 137 61.050 5.669 5.370 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.668 7.207 4.073 1.00 0.60 H new ATOM 0 HB3 MET A 137 59.608 8.373 5.380 1.00 0.60 H new ATOM 0 HG2 MET A 137 61.218 9.008 3.518 1.00 0.96 H new ATOM 0 HG3 MET A 137 61.964 8.942 5.102 1.00 0.96 H new ATOM 0 HE1 MET A 137 62.395 6.073 1.562 1.00 1.35 H new ATOM 0 HE2 MET A 137 60.905 5.962 2.529 1.00 1.35 H new ATOM 0 HE3 MET A 137 61.350 7.501 1.754 1.00 1.35 H new ATOM 820 N LYS A 138 61.416 7.553 7.956 1.00 0.62 N ATOM 821 CA LYS A 138 62.450 8.057 8.904 1.00 0.79 C ATOM 822 C LYS A 138 63.316 6.898 9.403 1.00 0.86 C ATOM 823 O LYS A 138 64.529 6.972 9.404 1.00 1.16 O ATOM 824 CB LYS A 138 61.659 8.672 10.060 1.00 0.87 C ATOM 825 CG LYS A 138 62.572 9.601 10.862 1.00 1.55 C ATOM 826 CD LYS A 138 62.094 11.046 10.706 1.00 2.07 C ATOM 827 CE LYS A 138 63.264 12.001 10.951 1.00 2.85 C ATOM 828 NZ LYS A 138 62.641 13.245 11.483 1.00 3.36 N ATOM 0 H LYS A 138 60.453 7.633 8.281 1.00 0.62 H new ATOM 0 HA LYS A 138 63.122 8.779 8.440 1.00 0.79 H new ATOM 0 HB2 LYS A 138 60.804 9.228 9.675 1.00 0.87 H new ATOM 0 HB3 LYS A 138 61.265 7.886 10.704 1.00 0.87 H new ATOM 0 HG2 LYS A 138 62.565 9.316 11.914 1.00 1.55 H new ATOM 0 HG3 LYS A 138 63.600 9.507 10.513 1.00 1.55 H new ATOM 0 HD2 LYS A 138 61.689 11.200 9.706 1.00 2.07 H new ATOM 0 HD3 LYS A 138 61.289 11.252 11.411 1.00 2.07 H new ATOM 0 HE2 LYS A 138 63.975 11.580 11.662 1.00 2.85 H new ATOM 0 HE3 LYS A 138 63.813 12.197 10.030 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 63.382 13.949 11.676 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 61.974 13.627 10.782 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 62.131 13.029 12.363 1.00 3.36 H new ATOM 842 N ASP A 139 62.703 5.827 9.827 1.00 0.71 N ATOM 843 CA ASP A 139 63.492 4.664 10.324 1.00 0.85 C ATOM 844 C ASP A 139 63.997 3.827 9.146 1.00 0.85 C ATOM 845 O ASP A 139 64.716 2.863 9.320 1.00 1.02 O ATOM 846 CB ASP A 139 62.513 3.855 11.176 1.00 0.97 C ATOM 847 CG ASP A 139 61.946 4.742 12.285 1.00 1.50 C ATOM 848 OD1 ASP A 139 61.552 5.856 11.982 1.00 2.33 O ATOM 849 OD2 ASP A 139 61.916 4.292 13.418 1.00 1.80 O ATOM 0 H ASP A 139 61.690 5.707 9.851 1.00 0.71 H new ATOM 0 HA ASP A 139 64.368 4.973 10.894 1.00 0.85 H new ATOM 0 HB2 ASP A 139 61.704 3.471 10.554 1.00 0.97 H new ATOM 0 HB3 ASP A 139 63.019 2.992 11.609 1.00 0.97 H new ATOM 854 N GLY A 140 63.627 4.187 7.947 1.00 0.81 N ATOM 855 CA GLY A 140 64.088 3.411 6.760 1.00 0.86 C ATOM 856 C GLY A 140 65.359 4.046 6.197 1.00 0.77 C ATOM 857 O GLY A 140 66.238 3.367 5.704 1.00 0.86 O ATOM 0 H GLY A 140 63.026 4.984 7.738 1.00 0.81 H new ATOM 0 HA2 GLY A 140 64.280 2.376 7.042 1.00 0.86 H new ATOM 0 HA3 GLY A 140 63.309 3.395 5.998 1.00 0.86 H new ATOM 861 N ASP A 141 65.466 5.345 6.264 1.00 0.70 N ATOM 862 CA ASP A 141 66.684 6.022 5.732 1.00 0.66 C ATOM 863 C ASP A 141 67.886 5.732 6.635 1.00 0.74 C ATOM 864 O ASP A 141 67.977 6.227 7.741 1.00 0.87 O ATOM 865 CB ASP A 141 66.348 7.513 5.747 1.00 0.66 C ATOM 866 CG ASP A 141 66.825 8.158 4.445 1.00 0.76 C ATOM 867 OD1 ASP A 141 67.696 7.588 3.809 1.00 0.92 O ATOM 868 OD2 ASP A 141 66.311 9.211 4.106 1.00 0.83 O ATOM 0 H ASP A 141 64.763 5.967 6.664 1.00 0.70 H new ATOM 0 HA ASP A 141 66.947 5.675 4.733 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.273 7.653 5.862 1.00 0.66 H new ATOM 0 HB3 ASP A 141 66.825 7.995 6.600 1.00 0.66 H new ATOM 873 N LYS A 142 68.809 4.932 6.174 1.00 0.75 N ATOM 874 CA LYS A 142 70.002 4.611 7.009 1.00 0.87 C ATOM 875 C LYS A 142 70.867 5.859 7.202 1.00 0.89 C ATOM 876 O LYS A 142 71.739 5.897 8.048 1.00 1.05 O ATOM 877 CB LYS A 142 70.765 3.548 6.217 1.00 0.89 C ATOM 878 CG LYS A 142 71.468 2.596 7.187 1.00 1.24 C ATOM 879 CD LYS A 142 71.596 1.214 6.547 1.00 1.26 C ATOM 880 CE LYS A 142 72.460 0.316 7.437 1.00 1.55 C ATOM 881 NZ LYS A 142 71.670 0.144 8.689 1.00 1.99 N ATOM 0 H LYS A 142 68.789 4.487 5.256 1.00 0.75 H new ATOM 0 HA LYS A 142 69.726 4.260 8.004 1.00 0.87 H new ATOM 0 HB2 LYS A 142 70.078 2.992 5.579 1.00 0.89 H new ATOM 0 HB3 LYS A 142 71.496 4.022 5.562 1.00 0.89 H new ATOM 0 HG2 LYS A 142 72.455 2.983 7.441 1.00 1.24 H new ATOM 0 HG3 LYS A 142 70.904 2.526 8.117 1.00 1.24 H new ATOM 0 HD2 LYS A 142 70.609 0.771 6.414 1.00 1.26 H new ATOM 0 HD3 LYS A 142 72.043 1.300 5.557 1.00 1.26 H new ATOM 0 HE2 LYS A 142 72.656 -0.644 6.958 1.00 1.55 H new ATOM 0 HE3 LYS A 142 73.428 0.775 7.640 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 71.780 -0.830 9.038 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 72.012 0.811 9.410 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 70.666 0.330 8.494 1.00 1.99 H new ATOM 895 N ASN A 143 70.635 6.883 6.427 1.00 0.85 N ATOM 896 CA ASN A 143 71.445 8.126 6.569 1.00 1.05 C ATOM 897 C ASN A 143 70.535 9.356 6.577 1.00 1.07 C ATOM 898 O ASN A 143 70.992 10.479 6.644 1.00 1.56 O ATOM 899 CB ASN A 143 72.360 8.144 5.343 1.00 1.08 C ATOM 900 CG ASN A 143 71.515 8.284 4.077 1.00 1.05 C ATOM 901 OD1 ASN A 143 70.319 8.489 4.151 1.00 0.98 O ATOM 902 ND2 ASN A 143 72.088 8.184 2.909 1.00 1.48 N ATOM 0 H ASN A 143 69.919 6.913 5.701 1.00 0.85 H new ATOM 0 HA ASN A 143 72.010 8.145 7.501 1.00 1.05 H new ATOM 0 HB2 ASN A 143 73.066 8.972 5.415 1.00 1.08 H new ATOM 0 HB3 ASN A 143 72.947 7.227 5.301 1.00 1.08 H new ATOM 0 HD21 ASN A 143 71.532 8.278 2.059 1.00 1.48 H new ATOM 0 HD22 ASN A 143 73.091 8.012 2.846 1.00 1.48 H new ATOM 909 N ASN A 144 69.248 9.153 6.508 1.00 0.78 N ATOM 910 CA ASN A 144 68.309 10.311 6.511 1.00 0.82 C ATOM 911 C ASN A 144 68.786 11.381 5.525 1.00 0.82 C ATOM 912 O ASN A 144 69.137 12.479 5.907 1.00 0.92 O ATOM 913 CB ASN A 144 68.346 10.847 7.943 1.00 0.95 C ATOM 914 CG ASN A 144 67.375 10.046 8.813 1.00 1.47 C ATOM 915 OD1 ASN A 144 66.174 10.170 8.678 1.00 2.28 O ATOM 916 ND2 ASN A 144 67.847 9.220 9.707 1.00 1.93 N ATOM 0 H ASN A 144 68.806 8.236 6.450 1.00 0.78 H new ATOM 0 HA ASN A 144 67.301 10.027 6.208 1.00 0.82 H new ATOM 0 HB2 ASN A 144 69.357 10.773 8.344 1.00 0.95 H new ATOM 0 HB3 ASN A 144 68.075 11.903 7.955 1.00 0.95 H new ATOM 0 HD21 ASN A 144 67.208 8.680 10.291 1.00 1.93 H new ATOM 0 HD22 ASN A 144 68.855 9.114 9.822 1.00 1.93 H new ATOM 923 N ASP A 145 68.799 11.069 4.258 1.00 0.75 N ATOM 924 CA ASP A 145 69.252 12.069 3.249 1.00 0.78 C ATOM 925 C ASP A 145 68.090 12.461 2.333 1.00 0.74 C ATOM 926 O ASP A 145 68.216 13.327 1.491 1.00 0.81 O ATOM 927 CB ASP A 145 70.349 11.359 2.454 1.00 0.76 C ATOM 928 CG ASP A 145 69.724 10.275 1.576 1.00 1.12 C ATOM 929 OD1 ASP A 145 68.621 9.854 1.882 1.00 1.72 O ATOM 930 OD2 ASP A 145 70.359 9.883 0.610 1.00 1.85 O ATOM 0 H ASP A 145 68.516 10.166 3.878 1.00 0.75 H new ATOM 0 HA ASP A 145 69.614 12.988 3.711 1.00 0.78 H new ATOM 0 HB2 ASP A 145 70.887 12.077 1.835 1.00 0.76 H new ATOM 0 HB3 ASP A 145 71.077 10.916 3.134 1.00 0.76 H new ATOM 935 N GLY A 146 66.958 11.830 2.492 1.00 0.69 N ATOM 936 CA GLY A 146 65.789 12.168 1.631 1.00 0.70 C ATOM 937 C GLY A 146 65.523 11.022 0.654 1.00 0.58 C ATOM 938 O GLY A 146 64.389 10.674 0.387 1.00 0.62 O ATOM 0 H GLY A 146 66.792 11.096 3.180 1.00 0.69 H new ATOM 0 HA2 GLY A 146 64.908 12.344 2.249 1.00 0.70 H new ATOM 0 HA3 GLY A 146 65.983 13.090 1.082 1.00 0.70 H new ATOM 942 N ARG A 147 66.556 10.433 0.115 1.00 0.54 N ATOM 943 CA ARG A 147 66.353 9.310 -0.846 1.00 0.49 C ATOM 944 C ARG A 147 66.879 7.998 -0.253 1.00 0.44 C ATOM 945 O ARG A 147 67.726 7.993 0.616 1.00 0.56 O ATOM 946 CB ARG A 147 67.162 9.694 -2.086 1.00 0.57 C ATOM 947 CG ARG A 147 66.806 11.118 -2.513 1.00 0.78 C ATOM 948 CD ARG A 147 65.944 11.073 -3.776 1.00 0.73 C ATOM 949 NE ARG A 147 66.100 12.418 -4.398 1.00 1.07 N ATOM 950 CZ ARG A 147 65.424 13.435 -3.935 1.00 1.60 C ATOM 951 NH1 ARG A 147 65.819 14.041 -2.850 1.00 2.32 N ATOM 952 NH2 ARG A 147 64.356 13.846 -4.560 1.00 2.22 N ATOM 0 H ARG A 147 67.529 10.679 0.297 1.00 0.54 H new ATOM 0 HA ARG A 147 65.299 9.155 -1.076 1.00 0.49 H new ATOM 0 HB2 ARG A 147 68.229 9.624 -1.872 1.00 0.57 H new ATOM 0 HB3 ARG A 147 66.953 8.998 -2.898 1.00 0.57 H new ATOM 0 HG2 ARG A 147 66.269 11.626 -1.712 1.00 0.78 H new ATOM 0 HG3 ARG A 147 67.714 11.690 -2.700 1.00 0.78 H new ATOM 0 HD2 ARG A 147 66.275 10.285 -4.452 1.00 0.73 H new ATOM 0 HD3 ARG A 147 64.901 10.868 -3.535 1.00 0.73 H new ATOM 0 HE ARG A 147 66.735 12.545 -5.186 1.00 1.07 H new ATOM 0 HH11 ARG A 147 66.656 13.721 -2.363 1.00 2.32 H new ATOM 0 HH12 ARG A 147 65.291 14.835 -2.488 1.00 2.32 H new ATOM 0 HH21 ARG A 147 64.049 13.373 -5.410 1.00 2.22 H new ATOM 0 HH22 ARG A 147 63.828 14.640 -4.199 1.00 2.22 H new ATOM 966 N ILE A 148 66.386 6.887 -0.727 1.00 0.35 N ATOM 967 CA ILE A 148 66.859 5.574 -0.203 1.00 0.36 C ATOM 968 C ILE A 148 67.458 4.752 -1.349 1.00 0.40 C ATOM 969 O ILE A 148 67.059 4.877 -2.490 1.00 0.41 O ATOM 970 CB ILE A 148 65.605 4.901 0.378 1.00 0.35 C ATOM 971 CG1 ILE A 148 65.450 5.313 1.844 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.729 3.375 0.289 1.00 0.43 C ATOM 973 CD1 ILE A 148 64.299 4.530 2.481 1.00 0.40 C ATOM 0 H ILE A 148 65.675 6.831 -1.456 1.00 0.35 H new ATOM 0 HA ILE A 148 67.637 5.672 0.554 1.00 0.36 H new ATOM 0 HB ILE A 148 64.733 5.217 -0.194 1.00 0.35 H new ATOM 0 HG12 ILE A 148 66.376 5.122 2.385 1.00 0.40 H new ATOM 0 HG13 ILE A 148 65.256 6.383 1.912 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.834 2.912 0.704 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.840 3.079 -0.754 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.602 3.047 0.854 1.00 0.43 H new ATOM 0 HD11 ILE A 148 64.191 4.826 3.525 1.00 0.40 H new ATOM 0 HD12 ILE A 148 63.374 4.744 1.946 1.00 0.40 H new ATOM 0 HD13 ILE A 148 64.511 3.462 2.427 1.00 0.40 H new ATOM 985 N ASP A 149 68.416 3.917 -1.056 1.00 0.47 N ATOM 986 CA ASP A 149 69.039 3.094 -2.132 1.00 0.55 C ATOM 987 C ASP A 149 68.805 1.602 -1.871 1.00 0.58 C ATOM 988 O ASP A 149 68.032 1.225 -1.013 1.00 0.54 O ATOM 989 CB ASP A 149 70.535 3.427 -2.084 1.00 0.65 C ATOM 990 CG ASP A 149 70.996 3.563 -0.631 1.00 1.32 C ATOM 991 OD1 ASP A 149 70.692 4.579 -0.026 1.00 2.00 O ATOM 992 OD2 ASP A 149 71.646 2.651 -0.148 1.00 2.16 O ATOM 0 H ASP A 149 68.794 3.769 -0.120 1.00 0.47 H new ATOM 0 HA ASP A 149 68.610 3.311 -3.110 1.00 0.55 H new ATOM 0 HB2 ASP A 149 71.106 2.644 -2.583 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.727 4.355 -2.623 1.00 0.65 H new ATOM 997 N TYR A 150 69.461 0.754 -2.614 1.00 0.67 N ATOM 998 CA TYR A 150 69.272 -0.715 -2.423 1.00 0.73 C ATOM 999 C TYR A 150 69.769 -1.157 -1.042 1.00 0.75 C ATOM 1000 O TYR A 150 69.558 -2.280 -0.630 1.00 0.76 O ATOM 1001 CB TYR A 150 70.110 -1.366 -3.525 1.00 0.84 C ATOM 1002 CG TYR A 150 69.905 -2.862 -3.496 1.00 0.97 C ATOM 1003 CD1 TYR A 150 68.638 -3.392 -3.222 1.00 1.74 C ATOM 1004 CD2 TYR A 150 70.983 -3.721 -3.744 1.00 1.63 C ATOM 1005 CE1 TYR A 150 68.448 -4.778 -3.196 1.00 2.14 C ATOM 1006 CE2 TYR A 150 70.793 -5.109 -3.718 1.00 2.06 C ATOM 1007 CZ TYR A 150 69.526 -5.637 -3.444 1.00 2.02 C ATOM 1008 OH TYR A 150 69.340 -7.004 -3.417 1.00 2.63 O ATOM 0 H TYR A 150 70.121 1.014 -3.347 1.00 0.67 H new ATOM 0 HA TYR A 150 68.221 -0.999 -2.478 1.00 0.73 H new ATOM 0 HB2 TYR A 150 69.823 -0.968 -4.498 1.00 0.84 H new ATOM 0 HB3 TYR A 150 71.164 -1.130 -3.382 1.00 0.84 H new ATOM 0 HD1 TYR A 150 67.806 -2.730 -3.031 1.00 1.74 H new ATOM 0 HD2 TYR A 150 71.961 -3.314 -3.955 1.00 1.63 H new ATOM 0 HE1 TYR A 150 67.470 -5.185 -2.985 1.00 2.14 H new ATOM 0 HE2 TYR A 150 71.624 -5.771 -3.909 1.00 2.06 H new ATOM 0 HH TYR A 150 68.716 -7.235 -2.698 1.00 2.63 H new ATOM 1018 N ASP A 151 70.427 -0.290 -0.324 1.00 0.78 N ATOM 1019 CA ASP A 151 70.933 -0.677 1.026 1.00 0.82 C ATOM 1020 C ASP A 151 70.009 -0.130 2.118 1.00 0.74 C ATOM 1021 O ASP A 151 69.624 -0.836 3.029 1.00 0.76 O ATOM 1022 CB ASP A 151 72.320 -0.043 1.128 1.00 0.87 C ATOM 1023 CG ASP A 151 73.385 -1.090 0.795 1.00 1.31 C ATOM 1024 OD1 ASP A 151 73.012 -2.190 0.425 1.00 1.67 O ATOM 1025 OD2 ASP A 151 74.557 -0.772 0.916 1.00 2.08 O ATOM 0 H ASP A 151 70.636 0.666 -0.610 1.00 0.78 H new ATOM 0 HA ASP A 151 70.970 -1.759 1.157 1.00 0.82 H new ATOM 0 HB2 ASP A 151 72.397 0.801 0.442 1.00 0.87 H new ATOM 0 HB3 ASP A 151 72.480 0.347 2.133 1.00 0.87 H new ATOM 1030 N GLU A 152 69.650 1.122 2.036 1.00 0.67 N ATOM 1031 CA GLU A 152 68.752 1.709 3.072 1.00 0.61 C ATOM 1032 C GLU A 152 67.347 1.111 2.957 1.00 0.58 C ATOM 1033 O GLU A 152 66.627 1.004 3.929 1.00 0.58 O ATOM 1034 CB GLU A 152 68.726 3.207 2.769 1.00 0.59 C ATOM 1035 CG GLU A 152 70.155 3.754 2.781 1.00 0.76 C ATOM 1036 CD GLU A 152 70.119 5.273 2.959 1.00 0.75 C ATOM 1037 OE1 GLU A 152 69.211 5.752 3.619 1.00 1.20 O ATOM 1038 OE2 GLU A 152 71.001 5.933 2.433 1.00 1.39 O ATOM 0 H GLU A 152 69.939 1.764 1.298 1.00 0.67 H new ATOM 0 HA GLU A 152 69.100 1.504 4.085 1.00 0.61 H new ATOM 0 HB2 GLU A 152 68.265 3.385 1.797 1.00 0.59 H new ATOM 0 HB3 GLU A 152 68.119 3.728 3.509 1.00 0.59 H new ATOM 0 HG2 GLU A 152 70.724 3.296 3.590 1.00 0.76 H new ATOM 0 HG3 GLU A 152 70.661 3.498 1.850 1.00 0.76 H new ATOM 1045 N PHE A 153 66.953 0.721 1.776 1.00 0.60 N ATOM 1046 CA PHE A 153 65.594 0.130 1.599 1.00 0.61 C ATOM 1047 C PHE A 153 65.566 -1.305 2.135 1.00 0.66 C ATOM 1048 O PHE A 153 64.518 -1.854 2.411 1.00 0.71 O ATOM 1049 CB PHE A 153 65.352 0.152 0.087 1.00 0.64 C ATOM 1050 CG PHE A 153 64.233 -0.802 -0.265 1.00 0.68 C ATOM 1051 CD1 PHE A 153 62.899 -0.400 -0.126 1.00 1.18 C ATOM 1052 CD2 PHE A 153 64.532 -2.087 -0.733 1.00 1.47 C ATOM 1053 CE1 PHE A 153 61.865 -1.284 -0.453 1.00 1.24 C ATOM 1054 CE2 PHE A 153 63.497 -2.971 -1.060 1.00 1.55 C ATOM 1055 CZ PHE A 153 62.163 -2.569 -0.921 1.00 0.93 C ATOM 0 H PHE A 153 67.512 0.785 0.925 1.00 0.60 H new ATOM 0 HA PHE A 153 64.826 0.681 2.142 1.00 0.61 H new ATOM 0 HB2 PHE A 153 65.097 1.162 -0.235 1.00 0.64 H new ATOM 0 HB3 PHE A 153 66.263 -0.130 -0.441 1.00 0.64 H new ATOM 0 HD1 PHE A 153 62.668 0.592 0.233 1.00 1.18 H new ATOM 0 HD2 PHE A 153 65.561 -2.396 -0.842 1.00 1.47 H new ATOM 0 HE1 PHE A 153 60.836 -0.975 -0.344 1.00 1.24 H new ATOM 0 HE2 PHE A 153 63.727 -3.963 -1.419 1.00 1.55 H new ATOM 0 HZ PHE A 153 61.364 -3.250 -1.175 1.00 0.93 H new ATOM 1065 N LEU A 154 66.709 -1.918 2.285 1.00 0.72 N ATOM 1066 CA LEU A 154 66.741 -3.317 2.802 1.00 0.80 C ATOM 1067 C LEU A 154 66.522 -3.328 4.318 1.00 0.79 C ATOM 1068 O LEU A 154 65.527 -3.823 4.805 1.00 0.82 O ATOM 1069 CB LEU A 154 68.136 -3.838 2.457 1.00 0.92 C ATOM 1070 CG LEU A 154 68.012 -5.051 1.534 1.00 0.85 C ATOM 1071 CD1 LEU A 154 68.516 -4.684 0.138 1.00 1.74 C ATOM 1072 CD2 LEU A 154 68.851 -6.203 2.091 1.00 1.54 C ATOM 0 H LEU A 154 67.620 -1.512 2.073 1.00 0.72 H new ATOM 0 HA LEU A 154 65.957 -3.935 2.365 1.00 0.80 H new ATOM 0 HB2 LEU A 154 68.718 -3.055 1.971 1.00 0.92 H new ATOM 0 HB3 LEU A 154 68.669 -4.113 3.367 1.00 0.92 H new ATOM 0 HG LEU A 154 66.967 -5.356 1.475 1.00 0.85 H new ATOM 0 HD11 LEU A 154 68.428 -5.549 -0.520 1.00 1.74 H new ATOM 0 HD12 LEU A 154 67.920 -3.863 -0.260 1.00 1.74 H new ATOM 0 HD13 LEU A 154 69.561 -4.378 0.197 1.00 1.74 H new ATOM 0 HD21 LEU A 154 68.763 -7.068 1.434 1.00 1.54 H new ATOM 0 HD22 LEU A 154 69.895 -5.897 2.150 1.00 1.54 H new ATOM 0 HD23 LEU A 154 68.493 -6.466 3.086 1.00 1.54 H new ATOM 1084 N GLU A 155 67.447 -2.790 5.065 1.00 0.79 N ATOM 1085 CA GLU A 155 67.289 -2.774 6.548 1.00 0.82 C ATOM 1086 C GLU A 155 66.035 -1.987 6.939 1.00 0.81 C ATOM 1087 O GLU A 155 65.477 -2.177 8.001 1.00 0.90 O ATOM 1088 CB GLU A 155 68.546 -2.077 7.072 1.00 0.85 C ATOM 1089 CG GLU A 155 69.561 -3.129 7.524 1.00 0.95 C ATOM 1090 CD GLU A 155 70.978 -2.636 7.221 1.00 1.67 C ATOM 1091 OE1 GLU A 155 71.144 -1.946 6.228 1.00 2.27 O ATOM 1092 OE2 GLU A 155 71.872 -2.956 7.987 1.00 2.47 O ATOM 0 H GLU A 155 68.304 -2.362 4.714 1.00 0.79 H new ATOM 0 HA GLU A 155 67.175 -3.776 6.962 1.00 0.82 H new ATOM 0 HB2 GLU A 155 68.979 -1.450 6.293 1.00 0.85 H new ATOM 0 HB3 GLU A 155 68.291 -1.421 7.904 1.00 0.85 H new ATOM 0 HG2 GLU A 155 69.452 -3.320 8.592 1.00 0.95 H new ATOM 0 HG3 GLU A 155 69.375 -4.073 7.011 1.00 0.95 H new ATOM 1099 N PHE A 156 65.590 -1.102 6.089 1.00 0.75 N ATOM 1100 CA PHE A 156 64.375 -0.301 6.411 1.00 0.78 C ATOM 1101 C PHE A 156 63.181 -1.225 6.680 1.00 0.84 C ATOM 1102 O PHE A 156 62.647 -1.263 7.771 1.00 0.90 O ATOM 1103 CB PHE A 156 64.129 0.553 5.163 1.00 0.78 C ATOM 1104 CG PHE A 156 62.708 1.068 5.167 1.00 0.85 C ATOM 1105 CD1 PHE A 156 62.066 1.344 6.380 1.00 1.27 C ATOM 1106 CD2 PHE A 156 62.032 1.267 3.957 1.00 1.66 C ATOM 1107 CE1 PHE A 156 60.749 1.819 6.384 1.00 1.31 C ATOM 1108 CE2 PHE A 156 60.715 1.741 3.960 1.00 1.77 C ATOM 1109 CZ PHE A 156 60.074 2.017 5.174 1.00 1.10 C ATOM 0 H PHE A 156 66.016 -0.899 5.185 1.00 0.75 H new ATOM 0 HA PHE A 156 64.505 0.308 7.305 1.00 0.78 H new ATOM 0 HB2 PHE A 156 64.828 1.389 5.139 1.00 0.78 H new ATOM 0 HB3 PHE A 156 64.309 -0.038 4.265 1.00 0.78 H new ATOM 0 HD1 PHE A 156 62.587 1.190 7.313 1.00 1.27 H new ATOM 0 HD2 PHE A 156 62.527 1.055 3.021 1.00 1.66 H new ATOM 0 HE1 PHE A 156 60.254 2.032 7.320 1.00 1.31 H new ATOM 0 HE2 PHE A 156 60.194 1.894 3.027 1.00 1.77 H new ATOM 0 HZ PHE A 156 59.058 2.383 5.177 1.00 1.10 H new ATOM 1119 N MET A 157 62.754 -1.965 5.694 1.00 0.86 N ATOM 1120 CA MET A 157 61.590 -2.877 5.892 1.00 0.95 C ATOM 1121 C MET A 157 62.011 -4.128 6.670 1.00 0.99 C ATOM 1122 O MET A 157 61.200 -4.784 7.293 1.00 1.12 O ATOM 1123 CB MET A 157 61.138 -3.251 4.480 1.00 0.99 C ATOM 1124 CG MET A 157 59.875 -2.467 4.125 1.00 1.28 C ATOM 1125 SD MET A 157 59.018 -3.287 2.757 1.00 1.48 S ATOM 1126 CE MET A 157 59.971 -2.541 1.412 1.00 1.12 C ATOM 0 H MET A 157 63.161 -1.978 4.759 1.00 0.86 H new ATOM 0 HA MET A 157 60.793 -2.405 6.467 1.00 0.95 H new ATOM 0 HB2 MET A 157 61.929 -3.031 3.763 1.00 0.99 H new ATOM 0 HB3 MET A 157 60.943 -4.322 4.421 1.00 0.99 H new ATOM 0 HG2 MET A 157 59.218 -2.403 4.993 1.00 1.28 H new ATOM 0 HG3 MET A 157 60.135 -1.446 3.845 1.00 1.28 H new ATOM 0 HE1 MET A 157 59.526 -2.815 0.455 1.00 1.12 H new ATOM 0 HE2 MET A 157 59.963 -1.456 1.518 1.00 1.12 H new ATOM 0 HE3 MET A 157 60.999 -2.902 1.451 1.00 1.12 H new ATOM 1136 N LYS A 158 63.272 -4.465 6.640 1.00 0.94 N ATOM 1137 CA LYS A 158 63.737 -5.676 7.378 1.00 1.02 C ATOM 1138 C LYS A 158 63.265 -5.623 8.834 1.00 1.05 C ATOM 1139 O LYS A 158 62.737 -6.582 9.360 1.00 1.20 O ATOM 1140 CB LYS A 158 65.263 -5.622 7.306 1.00 1.07 C ATOM 1141 CG LYS A 158 65.749 -6.469 6.128 1.00 1.26 C ATOM 1142 CD LYS A 158 66.780 -7.486 6.620 1.00 1.53 C ATOM 1143 CE LYS A 158 68.053 -7.374 5.779 1.00 1.45 C ATOM 1144 NZ LYS A 158 68.545 -8.772 5.636 1.00 2.07 N ATOM 0 H LYS A 158 63.999 -3.956 6.138 1.00 0.94 H new ATOM 0 HA LYS A 158 63.341 -6.597 6.950 1.00 1.02 H new ATOM 0 HB2 LYS A 158 65.596 -4.591 7.188 1.00 1.07 H new ATOM 0 HB3 LYS A 158 65.695 -5.992 8.236 1.00 1.07 H new ATOM 0 HG2 LYS A 158 64.907 -6.984 5.665 1.00 1.26 H new ATOM 0 HG3 LYS A 158 66.190 -5.829 5.364 1.00 1.26 H new ATOM 0 HD2 LYS A 158 67.009 -7.307 7.671 1.00 1.53 H new ATOM 0 HD3 LYS A 158 66.373 -8.495 6.550 1.00 1.53 H new ATOM 0 HE2 LYS A 158 67.846 -6.927 4.807 1.00 1.45 H new ATOM 0 HE3 LYS A 158 68.795 -6.743 6.268 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 69.417 -8.777 5.070 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 68.741 -9.169 6.577 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 67.821 -9.348 5.161 1.00 2.07 H new